tert-butyl 2-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(3,4-dicyanophenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(3,4-dicyanophenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(3,4-dicyanophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC(=C(C=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC(=C(C=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5/c1-19(2,3)30-15(26)10-24(4)17-16(25(27)28)18(23-11-22-17)29-14-6-5-12(8-20)13(7-14)9-21/h5-7,11H,10H2,1-4H3